1-(4-bromophenyl)sulfonyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 1-(4-bromophenyl)sulfonyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 1-(4-bromophenyl)sulfonyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 1-(4-bromophenyl)sulfonyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 1-(4-bromophenyl)sulfonyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 1-brosyl-3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C21H24BrN3O6S MolecularWeight: 526.40076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O6S/c1-5-6-11-31-21-23-20(14-12-17(28-2)19(30-4)18(13-14)29-3)25(24-21)32(26,27)16-9-7-15(22)8-10-16/h7-10,12-13H,5-6,11H2,1-4H3